이름: 4-(methylsulfanylmethyl)cyclohexane-1-carboxylic acid
SMILES:
CSCC1CCC(CC1)C(=O)OMolecular Processing
Molecular formula
C9H16O2S
Molecular weight
188.29
Exact mass
188.0871
XLogP
2.24
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
51.47
Supplementary Information
InChIKey: BIDVFOQUQKOWLP-UHFFFAOYSA-N
동의어
SCHEMBL3347674BIDVFOQUQKOWLP-UHFFFAOYSA-N4-[(methylthio)methyl]cyclohexanecarboxylic acid
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